| Compound Information | SONAR Target prediction | | Name: | PINOCEMBRIN | | Unique Identifier: | SPE01504154 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C15H12O4 | | Molecular Weight: | 244.158 g/mol | | X log p: | 14.716 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccccc1 | | Source: | ex Pinus, Prunus, Eucalyptus spp | | Reference: | Acta Chem Scand 5: 1, 121, 129 (1951); Chem Nat Comp 1: 111 (1986) | | Therapeutics: | antiinflammatory |
| Species: |
4932 |
| Condition: |
IDH2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5643±0.00240416 |
| Normalized OD Score: sc h |
0.9676±0.00151772 |
| Z-Score: |
-1.6224±0.115717 |
| p-Value: |
0.105879 |
| Z-Factor: |
-0.741464 |
| Fitness Defect: |
2.2455 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 7|A6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.70 Celcius | | Date: | 2007-10-19 YYYY-MM-DD | | Plate CH Control (+): | 0.04085±0.00058 | | Plate DMSO Control (-): | 0.57315±0.01012 | | Plate Z-Factor: | 0.9390 |
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| DBLink | Rows returned: 3 | |
| 68071 |
(2S)-5,7-dihydroxy-2-phenyl-chroman-4-one |
| 238782 |
5,7-dihydroxy-2-phenyl-chroman-4-one |
| 667544 |
(2R)-5,7-dihydroxy-2-phenyl-chroman-4-one |
| internal high similarity DBLink | Rows returned: 15 | 1 2 3 Next >> |
| active | Cluster 14672 | Additional Members: 12 | Rows returned: 0 | |
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